(5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C24H24N4O5S2 — CID 118090236

IUPAC(5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCN1CCN(S(=O)(=O)c2ccc(-c3cncc4cc(/C=C5\SC(=O)NC5=O)oc34)cc2)CC1
InChIInChI=1S/C24H24N4O5S2/c1-2-7-27-8-10-28(11-9-27)35(31,32)19-5-3-16(4-6-19)20-15-25-14-17-12-18(33-22(17)20)13-21-23(29)26-24(30)34-21/h3-6,12-15H,2,7-11H2,1H3,(H,26,29,30)/b21-13-
InChIKeyMSZMPJQQOKZJIA-BKUYFWCQSA-N
MW512.61 g/mol
LogP3.54
Rot. Bonds6

About (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090236) has the molecular formula C24H24N4O5S2 and a molecular weight of 512.61 g/mol. Its IUPAC name is (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090236
Molecular FormulaC24H24N4O5S2
Molecular Weight512.61 g/mol
Exact Mass512.12
IUPAC Name(5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCN1CCN(S(=O)(=O)c2ccc(-c3cncc4cc(/C=C5\SC(=O)NC5=O)oc34)cc2)CC1
InChIInChI=1S/C24H24N4O5S2/c1-2-7-27-8-10-28(11-9-27)35(31,32)19-5-3-16(4-6-19)20-15-25-14-17-12-18(33-22(17)20)13-21-23(29)26-24(30)34-21/h3-6,12-15H,2,7-11H2,1H3,(H,26,29,30)/b21-13-
InChIKeyMSZMPJQQOKZJIA-BKUYFWCQSA-N
XLogP3.54
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 154180821
4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 118089440
(5E)-5-[[7-[4-(methoxymethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090685
(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089221
(5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089927
4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 118089836
(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090369
(5Z)-5-[[7-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721
(5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089731
2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide
CID 118089390
5-[[7-(3-methylsulfanylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154203928
N-[3-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
CID 118090255

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090236) is (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is CCCN1CCN(S(=O)(=O)c2ccc(-c3cncc4cc(/C=C5\SC(=O)NC5=O)oc34)cc2)CC1.
What is the InChIKey of (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MSZMPJQQOKZJIA-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H24N4O5S2/c1-2-7-27-8-10-28(11-9-27)35(31,32)19-5-3-16(4-6-19)20-15-25-14-17-12-18(33-22(17)20)13-21-23(29)26-24(30)34-21/h3-6,12-15H,2,7-11H2,1H3,(H,26,29,30)/b21-13-.
What are the key properties of (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 512.61 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).